%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-2, 5
  5           0       -1.413230   -0.043073   -0.093439
  8           0       -2.293031   -1.146724    0.070992
  6           0       -3.650334   -0.729622   -0.090504
  6           0       -3.589660    0.804143    0.003970
  8           0       -2.217760    1.117818   -0.238885
  1           0       -4.275864   -1.186354    0.690514
  1           0       -4.025934   -1.065408   -1.072488
  1           0       -4.224959    1.308248   -0.739334
  1           0       -3.878781    1.163913    1.006001
 26           0        0.782648   -0.039134   -0.021976
 17           0        1.641253   -2.295995   -0.228714
 17           0        1.767650    1.402384   -1.734204
 17           0        1.452811    0.940469    2.140344

-H -C -N -O -P -B -S -Al -Cl -He -F 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb 0
sdd





